N-[2-[(2-bromophenyl)methoxy]ethyl]cyclohexanamine

C15H22BrNO — CID 82825189

IUPACN-[2-[(2-bromophenyl)methoxy]ethyl]cyclohexanamine
SMILESBrc1ccccc1COCCNC1CCCCC1
InChIInChI=1S/C15H22BrNO/c16-15-9-5-4-6-13(15)12-18-11-10-17-14-7-2-1-3-8-14/h4-6,9,14,17H,1-3,7-8,10-12H2
InChIKeyXQIJTTOPFNDLEO-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.89
Rot. Bonds6

About N-[2-[(2-bromophenyl)methoxy]ethyl]cyclohexanamine

N-[2-[(2-bromophenyl)methoxy]ethyl]cyclohexanamine (PubChem CID 82825189) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is N-[2-[(2-bromophenyl)methoxy]ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-[(2-bromophenyl)methoxy]ethyl]cyclohexanamine
PubChem CID82825189
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC NameN-[2-[(2-bromophenyl)methoxy]ethyl]cyclohexanamine
SMILESBrc1ccccc1COCCNC1CCCCC1
InChIInChI=1S/C15H22BrNO/c16-15-9-5-4-6-13(15)12-18-11-10-17-14-7-2-1-3-8-14/h4-6,9,14,17H,1-3,7-8,10-12H2
InChIKeyXQIJTTOPFNDLEO-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,6-dibromophenoxy)ethyl]cyclohexanamine
CID 63505937
N-[2-(2,6-dibromophenoxy)ethyl]cyclopentanamine
CID 62599325
4-[(2-bromophenyl)methoxy]-N-methylbutan-1-amine
CID 82825483
N-[3-(2-bromophenyl)propyl]cyclopropanamine
CID 62528627
1-bromo-2-[2-(2-bromophenyl)ethoxymethyl]benzene
CID 67392887
2-[(2-bromophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine
CID 82825971
N-[2-(2-bromophenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 55093327
N-[[3-bromo-2-[(2-bromophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 63499386
N-[2-(2-bromophenyl)sulfanylethyl]cycloheptanamine
CID 63515807
N-[2-[(2-bromophenyl)methoxy]ethyl]butan-2-amine
CID 82825030
2-[(2-bromophenyl)methoxy]cycloheptan-1-amine
CID 82831822
N-[2-[(3-methoxyphenyl)methoxy]ethyl]cyclohexanamine
CID 62565943

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-bromophenyl)methoxy]ethyl]cyclohexanamine?
The IUPAC name of N-[2-[(2-bromophenyl)methoxy]ethyl]cyclohexanamine (CID 82825189) is N-[2-[(2-bromophenyl)methoxy]ethyl]cyclohexanamine.
What is the SMILES notation for N-[2-[(2-bromophenyl)methoxy]ethyl]cyclohexanamine?
The canonical SMILES for N-[2-[(2-bromophenyl)methoxy]ethyl]cyclohexanamine is Brc1ccccc1COCCNC1CCCCC1.
What is the InChIKey of N-[2-[(2-bromophenyl)methoxy]ethyl]cyclohexanamine?
The InChIKey is XQIJTTOPFNDLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c16-15-9-5-4-6-13(15)12-18-11-10-17-14-7-2-1-3-8-14/h4-6,9,14,17H,1-3,7-8,10-12H2.
What are the key properties of N-[2-[(2-bromophenyl)methoxy]ethyl]cyclohexanamine?
N-[2-[(2-bromophenyl)methoxy]ethyl]cyclohexanamine has a molecular weight of 312.25 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-bromophenyl)methoxy]ethyl]cyclohexanamine is sourced from PubChem (CID 82825189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).